Basic information
- Standard SMILES
CCOC(=O)Cn1cc(-c2cccc(O)c2)nn1- InChIKey
WJRVWFBFVSAYOZ-UHFFFAOYSA-N- Molecular formula
- C12H13N3O3
- Average molar mass
- 247.25 g/mol
Names & identifiers
- Preferred name
- Ethyl[4-(3-Hydroxyphenyl)-1H-1,2,3-triazol-1-yl]acetate
- IUPAC
- ethyl 2-[4-(3-hydroxyphenyl)triazol-1-yl]acetate
Names & synonyms
SCHEMBL13172900WJRVWFBFVSAYOZ-UHFFFAOYSA-NDB-141903Ethyl[4-(3-Hydroxyphenyl)-1H-1,2,3-triazol-1-yl]acetateEthyl [4-(3-Hydroxyphenyl)-1H-1,2,3-triazol-1-yl]acetateEthyl 2-(4-(3-hydroxyphenyl)-1H-1,2,3-triazol-1-yl)acetate1402447-04-4
Database identifiers
- PubChem CID
- 70847799
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 77.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 288
Related reactions
2 records
Compound notes
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